SCHEMBL3528966

SCHEMBL3528966

O=C1CC(C2CC2)=NN1c1cccc(Cl)c1Cl

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.40
PTPN11 Q06124 3/20 0.37
ALDH1A1 P00352 1/20 0.37
DRD2 P14416 5/20 0.36
DRD3 P35462 4/20 0.36
ADRB1 P08588 1/20 0.36
P2RX7 Q99572 2/20 0.36
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
HCAR1 Q9BXC0 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3537137 0.88 HCAR1 (0.41) NOTUMALDH1A1GAAMAPTKMT2A
SCHEMBL3528352 0.79 PDCD1 (0.45) NOTUMALDH1A1KDM4EGAAMAPT
SCHEMBL10885978 0.79 GAA (0.46) NOTUMPTPN11ALDH1A1DRD2DRD3
SCHEMBL3527797 0.78 SLC9A1 (0.40) ALDH1A1KDM4EGAAMAPTKMT2A
SCHEMBL3533237 0.78 MEN1 (0.45) NOTUMALDH1A1DRD3KDM4EGAA
SCHEMBL3532127 0.78 MAPT (0.45) ALDH1A1DRD3KDM4EGAAMAPT
SCHEMBL3529723 0.77 SHMT2 (0.43) ALDH1A1DRD3P2RX7KDM4EGAA
SCHEMBL3532077 0.75 KMT2A (0.64) ALDH1A1DRD3KDM4EGAAMAPT
SCHEMBL3534430 0.74 GAA (0.43) ALDH1A1KDM4EGAAMAPTKMT2A
SCHEMBL3529246 0.74 ALDH1A1 (0.40) ALDH1A1KDM4EMAPTKMT2AHCAR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7652057-B2 Pyrazolones as 11b-HSD1 inhibitors for diabetes HOFFMAN-LA ROCHE INC. (US) 2010-01-26 US disclosed
EP-1924562-A2 PYRAZOLONE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-05-28 EP disclosed
WO-2007025880-A2 PYRAZOLONE DERIVATIVES AS 11-BETA HSD1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-03-08 WO disclosed
US-20070049574-A1 New pyrazolones as 11b-HSD1 inhibitors for diabetes F. HOFFMANN-LA ROCHE AG (CH) 2007-03-01 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070049574-A1 New pyrazolones as 11b-HSD1 inhibitors for diabetes HSD11B1, HSD17B1, HSD17B7 NOTUM 1893/4885PTPN11 1458/4885ALDH1A1 105/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.